[2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate

C17H15NO5S — CID 18123172

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
SMILESCC(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)=O)s1
InChIInChI=1S/C17H15NO5S/c1-10(19)12-5-3-4-6-13(12)18-16(21)9-23-17(22)15-8-7-14(24-15)11(2)20/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyQCVXVCZQWFMPLN-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.95
Rot. Bonds6

About [2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate

[2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate (PubChem CID 18123172) has the molecular formula C17H15NO5S and a molecular weight of 345.38 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
PubChem CID18123172
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
SMILESCC(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)=O)s1
InChIInChI=1S/C17H15NO5S/c1-10(19)12-5-3-4-6-13(12)18-16(21)9-23-17(22)15-8-7-14(24-15)11(2)20/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyQCVXVCZQWFMPLN-UHFFFAOYSA-N
XLogP2.95
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-acetylanilino)-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate
CID 35966583
[2-(2-benzylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123150
[2-(2-acetylanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 7887266
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 5-acetylthiophene-2-carboxylate
CID 46659733
[2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 2408217
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605484
[2-(2-acetylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611608
[2-(2-acetylanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483358
[2-(2-acetylanilino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631779
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123082
[2-(2-acetylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 2418106
[2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399359

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate (CID 18123172) is [2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate is CC(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)=O)s1.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate?
The InChIKey is QCVXVCZQWFMPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5S/c1-10(19)12-5-3-4-6-13(12)18-16(21)9-23-17(22)15-8-7-14(24-15)11(2)20/h3-8H,9H2,1-2H3,(H,18,21).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate?
[2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate has a molecular weight of 345.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate is sourced from PubChem (CID 18123172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).